5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-2-amine

C13H21ClN4 — CID 79312899

IUPAC5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-2-amine
SMILESCN(Cc1nc(N)ccc1Cl)CC1CCCN1C
InChIInChI=1S/C13H21ClN4/c1-17(8-10-4-3-7-18(10)2)9-12-11(14)5-6-13(15)16-12/h5-6,10H,3-4,7-9H2,1-2H3,(H2,15,16)
InChIKeyIUTNCWRUSXUSGU-UHFFFAOYSA-N
MW268.79 g/mol
LogP1.84
Rot. Bonds4

About 5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-2-amine

5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-2-amine (PubChem CID 79312899) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-2-amine
PubChem CID79312899
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-2-amine
SMILESCN(Cc1nc(N)ccc1Cl)CC1CCCN1C
InChIInChI=1S/C13H21ClN4/c1-17(8-10-4-3-7-18(10)2)9-12-11(14)5-6-13(15)16-12/h5-6,10H,3-4,7-9H2,1-2H3,(H2,15,16)
InChIKeyIUTNCWRUSXUSGU-UHFFFAOYSA-N
XLogP1.84
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]pyridin-2-amine
CID 55174807
5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-2-amine
CID 79309758
5-chloro-6-[(dimethylamino)methyl]pyridin-2-amine
CID 62893036
5-chloro-6-[[methyl(propyl)amino]methyl]pyridin-2-amine
CID 62890602
3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]aniline
CID 79304453
5-chloro-6-[[cyclopropylmethyl(ethyl)amino]methyl]pyridin-2-amine
CID 63956306
N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 79312971
[1-[(6-amino-3-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 62890471
2-(3,4-dichlorophenyl)-N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]ethanamine
CID 129365039
3-amino-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79303402
N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 80656005
5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine
CID 79310791

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-2-amine (CID 79312899) is 5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-2-amine is CN(Cc1nc(N)ccc1Cl)CC1CCCN1C.
What is the InChIKey of 5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-2-amine?
The InChIKey is IUTNCWRUSXUSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-17(8-10-4-3-7-18(10)2)9-12-11(14)5-6-13(15)16-12/h5-6,10H,3-4,7-9H2,1-2H3,(H2,15,16).
What are the key properties of 5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-2-amine?
5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-2-amine has a molecular weight of 268.79 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-2-amine is sourced from PubChem (CID 79312899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).